Browsing by Subject Ab initio molecular dynamics simulation
Showing results 1 to 5 of 5
| Issue Date | Title | Author(s) |
| 2016 | First principles design of Li functionalized hydrogenated h-BN nanosheet for hydrogen storage | Pathak, Biswarup |
| 2020 | High exothermic dissociation in van der Waals like hexagonal two dimensional nitrogene from first–principles molecular dynamics | Chakraborty, Sudip |
| 2016 | Lewis Acid-Base Adducts for Improving the Selectivity and Sensitivity of Graphene Based Gas Sensors | Garg, Priyanka; Pathak, Biswarup |
| 2020 | Theoretical Insights into Solid Electrolyte Interphase Formation in an Al Anode Dual-Ion Battery | Das, Sandeep; Bhauriyal, Preeti; Pathak, Biswarup |
| 2020 | Theoretical Insights into the Charge and Discharge Processes in Aluminum-Sulfur Batteries | Bhauriyal, Preeti; Das, Sandeep; Pathak, Biswarup |
